N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide

C29H28N2O3S — CID 10028310

IUPACN-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide
SMILESCS(=O)(=O)Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O3S/c1-35(33,34)31-26-19-17-22(18-20-26)21-27(23-11-5-2-6-12-23)30-29(32)28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,27-28,31H,21H2,1H3,(H,30,32)
InChIKeyIPHXLAOYTYAEFX-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.29
Rot. Bonds9

About N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide

N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide (PubChem CID 10028310) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide
PubChem CID10028310
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC NameN-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide
SMILESCS(=O)(=O)Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O3S/c1-35(33,34)31-26-19-17-22(18-20-26)21-27(23-11-5-2-6-12-23)30-29(32)28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,27-28,31H,21H2,1H3,(H,30,32)
InChIKeyIPHXLAOYTYAEFX-UHFFFAOYSA-N
XLogP5.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-tert-butylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 44189702
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(4-methanesulfonamidophenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895832
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pentyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 122194132
N-[[2-cyclohexyl-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 122194133
LY-395153
CID 656707
N-[2-(4-Amino-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide
CID 9953161
N-[2-(4-Acetylamino-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide
CID 10003801
3-(4-tert-butylphenyl)-N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]propanamide
CID 11166066
N-[(4-tert-butylphenyl)methyl]-2-[2-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11188965
N-[3-(3,4-dimethylphenyl)propyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11188966
N-[3,3-Di(4-fluorophenyl)-2-propenyl]-2-[3-fluoro-4-(methylsulfonylamino)phenyl]propionamide
CID 11202611
N-[(4-tert-butylphenyl)methyl]-2-[3-cyano-4-(methanesulfonamido)phenyl]propanamide
CID 11246966

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide (CID 10028310) is N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide is CS(=O)(=O)Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide?
The InChIKey is IPHXLAOYTYAEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-35(33,34)31-26-19-17-22(18-20-26)21-27(23-11-5-2-6-12-23)30-29(32)28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,27-28,31H,21H2,1H3,(H,30,32).
What are the key properties of N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide?
N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide has a molecular weight of 484.62 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methanesulfonamido)phenyl]-1-phenylethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 10028310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).